The present invention relates to a method and apparatus for improving data analysis of molecules processed using mass spectroscopy.
Recent advances have made mass spectroscopy available in the analysis of biologic molecules. Most notably, new methods of heating biological substances indirectly have allowed them to be analyzed using mass spectroscopy without being destroyed. Using these indirect heating methods, biological substances are vaporized and then bombarded with electrons to charge the resulting mixture and create an ionized gas. The ions pass through one end of a mass spectrometer where a combination of electric and magnetic fields accelerate them towards various detectors.
Ions travel at different speeds through the mass spectrometer depending on their mass and charge thus measuring how long they travel provides a relative indication of their weight. Heavier particles travel more sluggishly for shorter distances than lighter particles under the influence of these fields in the mass spectrometer. The detector within the mass spectrometer produces a relative mass-to-charge ratio (m/z) value along with a relative measure of intensity.
Computer assisted biological analysis uses the mass spectral data produced through mass spectroscopy to classify the biological makeup of a sample. Classification involves searching through a library or table of isotopic masses and identifying the constituent elements. An isotopic or monoisotopic mass is calculated using the mass of the most abundant natural isotope of each constituent element. In comparison, an average mass is calculated using the xe2x80x9catomic weightxe2x80x9d of each constituent element, which is the weighted average of all its natural isotopes.
Commercial application of these classification techniques can be applied, for example, in the analysis of proteins, peptides, carbohydrates, oligonucleotides, natural products and drug metabolites. Results from the classification not only helps characterize the elements of a compound but may also give insights to the structural relationship between the various large or small molecules. Because the physical and chemical properties and biological activities of chemical compounds are to a large extent a function of molecular structure, the results of classification analysis also reflects structural features that are determined by fragmentation ions appearing in a mass spectrum. One important advantage of computer assisted biological analysis and classification is the fact that a user is not required to have detailed knowledge of the complex spectra-structure relationship to get useful results.
Consequently, the demand for mass spectroscopy is increasing as its application of analyzing various biological substances grows. For example, mass spectroscopy is an important analytical tool for research in protein engineering and other areas of proteonomics as it is highly accurate and works well with small samples. Unfortunately, many computer assisted biological techniques remain inefficient and primitive. In particular, the computational systems used in conjunction with mass spectroscopy need further improvement and refinement as well as reduced costs. Successful efforts in these areas will further accelerate advances in research and popularize use of this important analytical tool by biological and scientific researchers.